Zinc in PDB 6ugr: Human Carbonic Anhydrase 2 Complexed with SB4-208

Protein crystallography data

The structure of Human Carbonic Anhydrase 2 Complexed with SB4-208, PDB code: 6ugr was solved by A.B.Murray, C.L.Lomelino, R.Mckenna, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 32.09 / 1.31
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.279, 41.279, 71.939, 90.00, 104.14, 90.00
R / Rfree (%) 15.1 / 16.5

Other elements in 6ugr:

The structure of Human Carbonic Anhydrase 2 Complexed with SB4-208 also contains other interesting chemical elements:

Fluorine (F) 1 atom

Zinc Binding Sites:

The binding sites of Zinc atom in the Human Carbonic Anhydrase 2 Complexed with SB4-208 (pdb code 6ugr). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total only one binding site of Zinc was determined in the Human Carbonic Anhydrase 2 Complexed with SB4-208, PDB code: 6ugr:

Zinc binding site 1 out of 1 in 6ugr

Go back to Zinc Binding Sites List in 6ugr
Zinc binding site 1 out of 1 in the Human Carbonic Anhydrase 2 Complexed with SB4-208


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Human Carbonic Anhydrase 2 Complexed with SB4-208 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn301

b:7.8
occ:1.00
NE2 A:HIS96 2.0 7.5 1.0
NE2 A:HIS94 2.0 7.3 1.0
ND1 A:HIS119 2.0 8.2 1.0
N09 A:Q71302 2.0 8.8 1.0
C08 A:Q71302 2.8 9.1 1.0
O11 A:Q71302 2.9 9.3 1.0
CE1 A:HIS119 2.9 6.8 1.0
CD2 A:HIS96 3.0 8.2 1.0
HE1 A:HIS119 3.0 8.2 1.0
CD2 A:HIS94 3.0 8.6 1.0
CE1 A:HIS96 3.0 8.8 1.0
CE1 A:HIS94 3.0 8.2 1.0
CG A:HIS119 3.1 6.4 1.0
HD2 A:HIS96 3.1 9.8 1.0
HD2 A:HIS94 3.2 10.3 1.0
HB2 A:HIS119 3.2 8.3 1.0
HE1 A:HIS94 3.2 9.8 1.0
HE1 A:HIS96 3.2 10.5 1.0
S10 A:Q71302 3.3 8.0 1.0
O13 A:Q71302 3.4 6.8 1.0
HG1 A:THR199 3.4 9.3 1.0
CB A:HIS119 3.6 6.9 1.0
HB3 A:HIS119 3.8 8.3 1.0
OG1 A:THR199 3.8 7.7 1.0
OE1 A:GLU106 4.0 8.8 1.0
NE2 A:HIS119 4.1 7.8 1.0
N07 A:Q71302 4.1 17.8 1.0
ND1 A:HIS96 4.1 8.3 1.0
ND1 A:HIS94 4.1 8.2 1.0
CG A:HIS96 4.1 7.7 1.0
O12 A:Q71302 4.2 8.6 1.0
CG A:HIS94 4.2 8.4 1.0
CD2 A:HIS119 4.2 7.0 1.0
HH2 A:TRP209 4.3 9.3 1.0
C05 A:Q71302 4.3 9.5 1.0
O A:HOH548 4.4 15.6 1.0
H071 A:Q71302 4.6 21.4 1.0
C04 A:Q71302 4.7 12.4 1.0
HE2 A:HIS119 4.8 9.4 1.0
HD1 A:HIS96 4.9 9.9 1.0
HD1 A:HIS94 4.9 9.8 1.0
CD A:GLU106 4.9 9.6 1.0

Reference:

S.Bua, C.L.Lomelino, A.B.Murray, S.M.Osman, Z.A.Alothman, M.Bozdag, H.A.A.Aziz, W.M.Eldehna, R.Mckenna, A.Nocentini, C.T.Supuran. "A Sweet Combination": Developing Saccharin and Acesulfame K Structures For Selectively Targeting the Tumor-Associated Carbonic Anhydrases IX and XII. J.Med.Chem. 2019.
ISSN: ISSN 0022-2623
PubMed: 31794211
DOI: 10.1021/ACS.JMEDCHEM.9B01669
Page generated: Wed Dec 16 12:59:04 2020

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